Investigations on the local structures of the two trigonal Er3+ centers in KMgF3

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	Investigations on the local structures of the two trigonal Er3+ centers in KMgF3
	S. Y. Wu; H. N. Dong; W. H. Wei
	2004
发表期刊	Physica Status Solidi B-Basic Research
ISSN	0370-1972
卷号	241 期号:15 页码:3505-3511
摘要	The local structures of the two trigonal Er3+ (Er-167) centers I and II in KMgF3 are theoretically studied using the perturbation formulas of the g factors for a 4f(II) ion in trigonal symmetry. In these formulas the contributions to the g factors from the second-order perturbation terms and admixtures of various states are taken into account. Based on the studies, the centers I and II are attributed to, respectively, the Er3+ impurity occupying the octahedral Mg2+ site with a K+ vacancy V-K and the dodecahedral K+ site with a Mg2+ vacancy V-Mg along the C-3 axis due to charge compensation. According to the calculations. the Er3+ ion in either center is found to undergo an axial displacement DeltaZ(L) (L = I or II) towards the compensator (V-K or V-Mg) along the C-3 axis-because of electrostatic attraction. The calculated g factors for both the Er3+ centers based on the displacements DeltaZ(L) show reasonable agreement with the observed values. The local structures of the two centers are discussed. The theoretical studies in this paper may be useful for understanding the optical properties of Er3+-doped KMgF3. (C) 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
部门归属	univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. chongqing univ posts & telecommun, coll elect engn, chongqing 400065, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com
关键词	Electron-paramagnetic-resonance Superposition-model Analysis Crystal-field Perovskite Kmgf3 Single-crystals Epr Parameters Transitions Impurities Complex Ions
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WOS记录号	WOS:000225807600010
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35627
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,H. N. Dong,W. H. Wei. Investigations on the local structures of the two trigonal Er3+ centers in KMgF3[J]. Physica Status Solidi B-Basic Research,2004,241(15):3505-3511.
APA	S. Y. Wu,H. N. Dong,&W. H. Wei.(2004).Investigations on the local structures of the two trigonal Er3+ centers in KMgF3.Physica Status Solidi B-Basic Research,241(15),3505-3511.
MLA	S. Y. Wu,et al."Investigations on the local structures of the two trigonal Er3+ centers in KMgF3".Physica Status Solidi B-Basic Research 241.15(2004):3505-3511.